SCHEMBL9977221

SCHEMBL9977221

CON(C)C(=O)CC[C@H](Cc1ccccc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
ATM Q13315 1/20 0.37
CTSS P25774 4/20 0.37
CTSK P43235 2/20 0.37
ACE P12821 1/20 0.37
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
AKT1 P31749 2/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
KLK5 Q9Y337 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
REN P00797 1/20 0.35
CTRB1 P17538 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2707289 0.81 TPSAB1 (0.40) ITGA4ITGB7CTSSCTSKJAK3
SCHEMBL13624594 0.79 L3MBTL1 (0.41) ITGA4ITGB7ATMCTSSCTSK
SCHEMBL9977212 0.78 ATM (0.58) ATMCTSSCTSKACEJAK3
SCHEMBL5914359 0.78 ATM (0.58) ATMCTSSCTSKACEJAK3
SCHEMBL5914369 0.78 ATM (0.58) ATMCTSSCTSKACEJAK3
SCHEMBL9977219 0.78 ATM (0.43) ITGA4ITGB7ATMCTSSCTSK
SCHEMBL3198955 0.74 ATM (0.41) ITGA4ITGB7ATMCTSSCTSK
SCHEMBL24443521 0.73 REN (0.45) ITGA4ITGB7ATMCTSSCTSK
SCHEMBL13489760 0.73 ATM (0.40) ITGA4ITGB7ATMCTSSCTSK
SCHEMBL6316889 0.72 ATM (0.43) ITGA4ITGB7ATMCTSSCTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140051656-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ITGA4 4630/4885ITGB7 4509/4885ATM 4174/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ITGA4 4630/4885ITGB7 4509/4885ATM 4174/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ITGA4 4630/4885ITGB7 4509/4885ATM 4174/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ITGA4 4630/4885ITGB7 4509/4885ATM 4174/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ITGA4 4630/4885ITGB7 4509/4885ATM 4174/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ITGA4 4630/4885ITGB7 4509/4885ATM 4174/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ITGA4 4630/4885ITGB7 4509/4885ATM 4174/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.